Chemical Properties of TRIS(4-NITROPHENYL)METHANE

InChI

InChI=1S/C19H13N3O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12,19H

InChI Key

GFDFIMKBMBRKCK-UHFFFAOYSA-N

Formula

C19H13N3O6

SMILES

O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1

Molecular Weight¹

379.33

Other Names

• Tris(p-nitrophenyl)methane
• Tri-p-nitrophenylmethane
• Trinitrotriphenylmethane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-9509.80; -9509.80]	kJ/mol
ΔcH°solid	-9509.80	kJ/mol	NIST
ΔcH°solid	-9509.80	kJ/mol	NIST
ΔfH°gas	227.72	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[137.00; 175.00]	kJ/mol
ΔfH°solid	175.00	kJ/mol	NIST
ΔfH°solid	137.00	kJ/mol	NIST
ΔfusH°	56.48	kJ/mol	Joback Calculated Property
ΔvapH°	139.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-6.51		Relay (1.0) Calculated Property
logPoct/wat	4.591		Crippen Calculated Property
McVol	259.550	ml/mol	McGowan Calculated Property
Tboil	703.97	K	Relay (1.0) Calculated Property
Tfus	443.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[325.62; 774.09]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.84100e+01
Coefficient B			1.69758e+00
Coefficient C			-1.14068e-03
Coefficient D			2.75600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.62	J/mol×K	273.00	Calculated Property
Cp,gas	411.59	J/mol×K	353.78	Calculated Property
Cp,gas	486.49	J/mol×K	434.56	Calculated Property
Cp,gas	551.20	J/mol×K	515.33	Calculated Property
Cp,gas	606.58	J/mol×K	596.11	Calculated Property
Cp,gas	653.50	J/mol×K	676.89	Calculated Property
Cp,gas	692.84	J/mol×K	757.67	Calculated Property
Cp,gas	725.47	J/mol×K	838.44	Calculated Property
Cp,gas	752.27	J/mol×K	919.22	Calculated Property
Cp,gas	774.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to TRIS(4-NITROPHENYL)METHANE.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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